0 mol 114 unq 0 iso 0 dist 9.26301 12.5962 5.31281 11.1736 5.24877 8.42445 15.8173 9.24515 7.18757 7.5732 numMergedOcc 0
1 mol 115 unq 0 iso 0 dist 5.2929 5.93926 7.67341 6.3982 5.3967 6.7225 5.29965 8.35604 5.39296 5.11551 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 9.83241 8.10347 7.07421 9.54663 4.80675 6.29026 6.95124 10.1938 11.5533 8.54584 numMergedOcc 0
3 mol 182 unq 0 iso 0 dist 7.67974 6.16006 8.94671 7.21035 4.85077 7.86625 8.27436 12.503 5.40949 9.31746 numMergedOcc 0
4 mol 214 unq 0 iso 0 dist 8.67902 13.4896 9.81136 20.1792 17.404 8.49704 17.1746 18.7061 12.4611 9.65138 numMergedOcc 0
5 mol 214 unq 1 iso 0 dist 8.67902 13.4896 9.81136 20.1792 17.404 8.49704 19.8199 17.5046 11.832 7.14453 numMergedOcc 0
6 mol 214 unq 2 iso 0 dist 8.67902 13.4896 9.81136 20.1792 17.404 8.49704 16.7925 18.1374 10.644 8.85478 numMergedOcc 0
7 mol 220 unq 0 iso 0 dist 9.64006 16.6231 7.86207 18.1733 10.6943 9.8711 15.7646 8.9077 4.90657 9.23153 numMergedOcc 0
8 mol 236 unq 0 iso 0 dist 7.73969 10.4934 9.13126 6.67907 5.52669 9.10613 5.81354 6.73134 6.0258 8.04248 numMergedOcc 0
9 mol 241 unq 0 iso 0 dist 9.82576 10.1581 9.174 11.7866 7.93809 9.72526 6.14115 6.40592 4.86437 7.4631 numMergedOcc 0
10 mol 249 unq 0 iso 0 dist 8.21137 7.6558 6.18866 13.7192 12.5843 7.29898 11.0197 12.4678 6.6173 7.57994 numMergedOcc 0
11 mol 249 unq 1 iso 0 dist 8.21137 7.6558 6.18866 13.7192 12.5843 7.29898 12.7947 15.0782 8.95486 6.18582 numMergedOcc 0
12 mol 249 unq 2 iso 0 dist 8.21137 11.1949 9.3807 13.7192 12.5843 8.91685 11.0197 12.4678 5.25611 7.57994 numMergedOcc 0
13 mol 249 unq 3 iso 0 dist 8.21137 11.1949 9.3807 13.7192 12.5843 8.91685 12.7947 15.0782 9.66184 6.18582 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 9.98041 11.5702 6.76656 13.2261 10.908 6.77279 16.0777 14.2826 7.55268 8.53687 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 9.98041 11.5702 6.76656 13.2261 10.908 6.77279 6.00315 6.96379 5.71237 8.13497 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 9.98041 11.5702 6.76656 11.283 12.7595 9.58006 6.00315 6.96379 5.71237 7.88519 numMergedOcc 0
17 mol 259 unq 3 iso 0 dist 9.98041 11.5702 6.76656 11.283 12.7595 9.58006 6.72493 11.7889 9.10984 7.84554 numMergedOcc 0
18 mol 259 unq 4 iso 0 dist 9.98041 11.5702 6.76656 11.283 12.7595 9.58006 5.69584 11.1532 11.8501 7.46176 numMergedOcc 0
19 mol 259 unq 5 iso 0 dist 9.98041 11.5702 6.76656 11.283 12.7595 9.58006 11.1715 17.4423 13.9868 9.18903 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.60879 9.93994 6.23539 6.86014 7.44724 6.90434 4.83355 14.2462 13.2927 9.7748 numMergedOcc 0
